3-methyl-N-[2-[(6-methyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-methyl-N-[2-[(6-methyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-methyl-N-[2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-methyl-N-[2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methyl-N-[2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[(4-keto-6-methyl-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C26H21N3O2S2 MolecularWeight: 471.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C26H21N3O2S2/c1-15-4-3-5-17(10-15)25(31)28-18-7-9-22-24(13-18)33-26(29-22)32-14-19-12-23(30)20-11-16(2)6-8-21(20)27-19/h3-13H,14H2,1-2H3,(H,27,30)(H,28,31)